5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole

C64H37F3N8 — CID 164791649

IUPAC5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole
SMILESFC(F)(F)c1c(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2cnccc21
InChIInChI=1S/C64H37F3N8/c65-64(66,67)58-59(71-52-26-12-5-19-42(52)45-35-68-32-29-55(45)71)61(73-48-22-8-1-15-38(48)39-16-2-9-23-49(39)73)63(75-54-28-14-7-21-44(54)47-37-70-34-31-57(47)75)62(74-50-24-10-3-17-40(50)41-18-4-11-25-51(41)74)60(58)72-53-27-13-6-20-43(53)46-36-69-33-30-56(46)72/h1-37H
InChIKeyLQUYDZDEDWBAEQ-UHFFFAOYSA-N
MW975.05 g/mol
LogP16.38
Rot. Bonds5

About 5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole

5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole (PubChem CID 164791649) has the molecular formula C64H37F3N8 and a molecular weight of 975.05 g/mol. Its IUPAC name is 5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole
PubChem CID164791649
Molecular FormulaC64H37F3N8
Molecular Weight975.05 g/mol
Exact Mass974.31
IUPAC Name5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole
SMILESFC(F)(F)c1c(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2cnccc21
InChIInChI=1S/C64H37F3N8/c65-64(66,67)58-59(71-52-26-12-5-19-42(52)45-35-68-32-29-55(45)71)61(73-48-22-8-1-15-38(48)39-16-2-9-23-49(39)73)63(75-54-28-14-7-21-44(54)47-37-70-34-31-57(47)75)62(74-50-24-10-3-17-40(50)41-18-4-11-25-51(41)74)60(58)72-53-27-13-6-20-43(53)46-36-69-33-30-56(46)72/h1-37H
InChIKeyLQUYDZDEDWBAEQ-UHFFFAOYSA-N
XLogP16.38
TPSA63.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.05
LogP ≤ 516.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole with MolForge

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Related Compounds

2,3,4,5,6-penta(9H-carbazol-9-yl)benzonitrile
CID 132839085
Bis(1,10-phenanthroline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 57339425
Tetrakis(2,2'-Bipyridine-Kappa~2~n~1~,N~1'~)(Mu-Tetrapyrido[3,2-A:2',3'-C:3'',2''-H:2''',3'''-J]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~13~,N~14~)diruthenium(4+) L Enantiomer
CID 71737795
Bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 57261388
(Mu-11,11'-Bidipyrido[3,2-A:2',3'-C]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~4'~,N~5'~)[tetrakis(1,10-Phenanthroline-Kappa~2~n~1~,N~10~)]diruthenium
CID 73010381
Ru(Phen)2(Dppz-11,12-Me2)
CID 124081746
ZINC;2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]-3-[2-pyridin-2-yl-1-[4-(2-pyridin-2-ylindol-1-yl)phenyl]indol-3-yl]indole;bis(2,2,2-trifluoroacetate)
CID 139128534
12,13,30,31-Tetrabutyl-3,4,21,22,39,40,43,44-octafluoro-1,6,19,24-tetrazaundecacyclo[22.12.2.22,5.26,16.220,23.010,15.027,38.028,33.034,37.09,42.019,41]tetratetraconta-2,4,7,9,11,13,15,17,20(40),21,23(39),25,27,29,31,33,35,37,41,43-icosaene
CID 168305683
(4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile
CID 139186358
3-[2-[4,4-bis(1H-indol-4-yl)-1-[2-[6-(trifluoromethyl)-1H-indol-3-yl]ethyl]piperazin-4-ium-2-yl]ethyl]-6-(trifluoromethyl)-1H-indole
CID 54030900
9,9',9'',9''',9''''-[6-(Trifluoromethyl)benzene-1,2,3,4,5-pentayl]pentakis(9H-carbazole)
CID 57610172
5-[3-Fluoro-4-(2-fluoro-4-pyrido[3,2-b]indol-5-ylphenyl)phenyl]pyrido[3,2-b]indole
CID 57648561

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole?
The IUPAC name of 5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole (CID 164791649) is 5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole.
What is the SMILES notation for 5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole?
The canonical SMILES for 5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole is FC(F)(F)c1c(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2cnccc21.
What is the InChIKey of 5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole?
The InChIKey is LQUYDZDEDWBAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H37F3N8/c65-64(66,67)58-59(71-52-26-12-5-19-42(52)45-35-68-32-29-55(45)71)61(73-48-22-8-1-15-38(48)39-16-2-9-23-49(39)73)63(75-54-28-14-7-21-44(54)47-37-70-34-31-57(47)75)62(74-50-24-10-3-17-40(50)41-18-4-11-25-51(41)74)60(58)72-53-27-13-6-20-43(53)46-36-69-33-30-56(46)72/h1-37H.
What are the key properties of 5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole?
5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole has a molecular weight of 975.05 g/mol, XLogP of 16.38, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-di(carbazol-9-yl)-3,5-bis(pyrido[4,3-b]indol-5-yl)-6-(trifluoromethyl)phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 164791649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).